2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide

C11H18N2O3S — CID 29054263

IUPAC2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C11H18N2O3S/c1-8-6-10(12)11(7-9(8)2)17(14,15)13-4-5-16-3/h6-7,13H,4-5,12H2,1-3H3
InChIKeyAXKRHLLCUBYKSS-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.81
Rot. Bonds5

About 2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide

2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 29054263) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
PubChem CID29054263
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C11H18N2O3S/c1-8-6-10(12)11(7-9(8)2)17(14,15)13-4-5-16-3/h6-7,13H,4-5,12H2,1-3H3
InChIKeyAXKRHLLCUBYKSS-UHFFFAOYSA-N
XLogP0.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43153258
2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233857
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide
CID 63825119
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide
CID 106249745
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
2-amino-4,5-dimethyl-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61127178
2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 30057072
5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
2-amino-4,5-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425500
2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide (CID 29054263) is 2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide is COCCNS(=O)(=O)c1cc(C)c(C)cc1N.
What is the InChIKey of 2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is AXKRHLLCUBYKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-6-10(12)11(7-9(8)2)17(14,15)13-4-5-16-3/h6-7,13H,4-5,12H2,1-3H3.
What are the key properties of 2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide?
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 29054263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).